BDBM50354992 CHEMBL1834897

SMILES: CC(C)CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@@H]2N3[C@H](CO[C@@H]13)O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c6O[C@@H]1[C@]2(CCN3CC(C)C)c46)ccc5O

InChI Key: InChIKey=VGHHPZPNDPOCML-KAEFNMNLSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50354992   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Mu-type opioid receptor (MOUSE)	BDBM50354992 (CHEMBL1834897) Show SMILES CC(C)CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@@H]2N3[C@H](CO[C@@H]13)O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c6O[C@@H]1[C@]2(CCN3CC(C)C)c46)ccc5O |r| Show InChI InChI=1S/C44H55N3O9/c1-22(2)19-45-15-13-39-31-24-5-7-26(48)33(31)53-35(39)41(9-11-43(39,50)28(45)17-24)37-47-30(21-52-37)55-42(38(47)56-41)10-12-44(51)29-18-25-6-8-27(49)34-32(25)40(44,36(42)54-34)14-16-46(29)20-23(3)4/h5-8,22-23,28-30,35-38,48-51H,9-21H2,1-4H3/t28-,29-,30+,35-,36-,37+,38+,39+,40+,41+,42+,43-,44-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mouse mu opioid receptor in whole brain without cerebellum				Bioorg Med Chem Lett 21: 6198-202 (2011) Article DOI: 10.1016/j.bmcl.2011.07.065 BindingDB Entry DOI: 10.7270/Q25M664X
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50354992 (CHEMBL1834897) Show SMILES CC(C)CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@@H]2N3[C@H](CO[C@@H]13)O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c6O[C@@H]1[C@]2(CCN3CC(C)C)c46)ccc5O |r| Show InChI InChI=1S/C44H55N3O9/c1-22(2)19-45-15-13-39-31-24-5-7-26(48)33(31)53-35(39)41(9-11-43(39,50)28(45)17-24)37-47-30(21-52-37)55-42(38(47)56-41)10-12-44(51)29-18-25-6-8-27(49)34-32(25)40(44,36(42)54-34)14-16-46(29)20-23(3)4/h5-8,22-23,28-30,35-38,48-51H,9-21H2,1-4H3/t28-,29-,30+,35-,36-,37+,38+,39+,40+,41+,42+,43-,44-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	119	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from guinea pig kappa opioid receptor in cerebellum				Bioorg Med Chem Lett 21: 6198-202 (2011) Article DOI: 10.1016/j.bmcl.2011.07.065 BindingDB Entry DOI: 10.7270/Q25M664X
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50354992 (CHEMBL1834897) Show SMILES CC(C)CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@@H]2N3[C@H](CO[C@@H]13)O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c6O[C@@H]1[C@]2(CCN3CC(C)C)c46)ccc5O |r| Show InChI InChI=1S/C44H55N3O9/c1-22(2)19-45-15-13-39-31-24-5-7-26(48)33(31)53-35(39)41(9-11-43(39,50)28(45)17-24)37-47-30(21-52-37)55-42(38(47)56-41)10-12-44(51)29-18-25-6-8-27(49)34-32(25)40(44,36(42)54-34)14-16-46(29)20-23(3)4/h5-8,22-23,28-30,35-38,48-51H,9-21H2,1-4H3/t28-,29-,30+,35-,36-,37+,38+,39+,40+,41+,42+,43-,44-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from mouse delta opioid receptor in whole brain without cerebellum				Bioorg Med Chem Lett 21: 6198-202 (2011) Article DOI: 10.1016/j.bmcl.2011.07.065 BindingDB Entry DOI: 10.7270/Q25M664X
					More data for this Ligand-Target Pair